(Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine

C23H18N6 — CID 9023766

IUPAC(Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine
SMILESC(=N\n1cnc2ccccc21)\c1cn(Cc2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C23H18N6/c1-2-7-18(8-3-1)15-28-16-20(23(27-28)19-9-6-12-24-13-19)14-26-29-17-25-21-10-4-5-11-22(21)29/h1-14,16-17H,15H2/b26-14-
InChIKeyMUTKCOYULDSJOF-WGARJPEWSA-N
MW378.44 g/mol
LogP4.23
Rot. Bonds5

About (Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine

(Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine (PubChem CID 9023766) has the molecular formula C23H18N6 and a molecular weight of 378.44 g/mol. Its IUPAC name is (Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine
PubChem CID9023766
Molecular FormulaC23H18N6
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC Name(Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine
SMILESC(=N\n1cnc2ccccc21)\c1cn(Cc2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C23H18N6/c1-2-7-18(8-3-1)15-28-16-20(23(27-28)19-9-6-12-24-13-19)14-26-29-17-25-21-10-4-5-11-22(21)29/h1-14,16-17H,15H2/b26-14-
InChIKeyMUTKCOYULDSJOF-WGARJPEWSA-N
XLogP4.23
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine?
The IUPAC name of (Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine (CID 9023766) is (Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine.
What is the SMILES notation for (Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine?
The canonical SMILES for (Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine is C(=N\n1cnc2ccccc21)\c1cn(Cc2ccccc2)nc1-c1cccnc1.
What is the InChIKey of (Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine?
The InChIKey is MUTKCOYULDSJOF-WGARJPEWSA-N. The full InChI is InChI=1S/C23H18N6/c1-2-7-18(8-3-1)15-28-16-20(23(27-28)19-9-6-12-24-13-19)14-26-29-17-25-21-10-4-5-11-22(21)29/h1-14,16-17H,15H2/b26-14-.
What are the key properties of (Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine?
(Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine has a molecular weight of 378.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine is sourced from PubChem (CID 9023766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).